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Compound Detail

CHEMBL388069

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NCCCCCN1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O

Basic Information

ChEMBL ID CHEMBL388069
Phase Preclinical
Structure Type MOL
InChI Key WYDKPFPQRLGAOB-JOCHJYFZSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

418.5
MW (Da)
2.91
ALogP
3
HBA
3
HBD
91.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30N4O2
MW 418.54
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.42

Activity Summary

IC50 2 meas. best 7.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
IC50 7.12 7.12 75.0 1
Somatostatin receptor type 5
CHEMBL1792
IC50 6.61 6.61 245.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17559206 10.1021/jm070246f Somatostatin receptor type 1 1
17559206 10.1021/jm070246f Somatostatin receptor type 2 1
17559206 10.1021/jm070246f Somatostatin receptor type 3 1
17559206 10.1021/jm070246f Somatostatin receptor type 4 1
17559206 10.1021/jm070246f Somatostatin receptor type 5 1

Data from ChEMBL 36 via Core Engine